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(6R)-4-keto-2-methyl-6-[(3S,5R,7R,10S,13R,14R,15S,17R)-3,7,15-trihydroxy-11-keto-4,4,10,13,14-pentamethyl-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]enanthic acid methyl ester
SpectraBase Compound ID 9AbwG4p49fe
InChI InChI=1S/C31H48O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h16-17,19-20,22-24,33,35-36H,9-15H2,1-8H3/t16-,17?,19-,20-,22+,23+,24+,29+,30-,31+/m1/s1
InChIKey UEEGPTLRKRDHLY-UNLPKGEYSA-N
Mol Weight 532.7 g/mol
Molecular Formula C31H48O7
Exact Mass 532.340004 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fsw5ErWvuRM
Name (6R)-4-keto-2-methyl-6-[(3S,5R,7R,10S,13R,14R,15S,17R)-3,7,15-trihydroxy-11-keto-4,4,10,13,14-pentamethyl-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]enanthic acid methyl ester
Compound Number B9;20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H48O7
InChI InChI=1S/C31H48O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h16-17,19-20,22-24,33,35-36H,9-15H2,1-8H3/t16-,17?,19-,20-,22+,23+,24+,29+,30-,31+/m1/s1
InChIKey UEEGPTLRKRDHLY-UNLPKGEYSA-N
Literature Reference Author Q.XIA,H.ZHANG,X.SUN,H.ZHAO,L.WU,D.ZHU,G.YANG,Y.SHAO,X.ZHANG, X.MAO,L.ZHANG,G.SHE
Literature Reference Citation MOLECULES,19,17478(2014)
Literature Reference DOI 10.3390/molecules191117478
Molecular Weight 532.718 g/mol
Solvent CDCl3
Source File Reference UWLU81718